Crystallography Open Database

Information card for entry 1520435

1520434 << 1520435 >> 1520436

Preview

Coordinates	1520435.cif

Structure parameters

Formula	C7.5 H9.5 N4.5 O0.5 Zn
Calculated formula	C7.5 H9.5 N4.5 O0.5 Zn
Title of publication	C7.5H9.5N4.5O0.5Zn
Authors of publication	Cheetham, A.K.; Bennett, T.D.; Callear, Samantha K.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2009
Pages of publication	625
a	15.5741 ± 0.0006 Å
b	14.8047 ± 0.0004 Å
c	18.4602 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	4256.4 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0889
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.0994
Weighted residual factors for all reflections included in the refinement	0.1143
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	1520435.cif
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1520435.cif
138929	2015-06-08	cif/ Adding structures of 1520435 via cif-deposit CGI script.	1520435.cif